(2R,3R,5R,6R)-3,5-dimethyl-2,6-bis(2-methylphenyl)piperidin-1-ium-4-one

Systemtic Name: (2R,3R,5R,6R)-3,5-dimethyl-2,6-bis(2-methylphenyl)piperidin-1-ium-4-one Openeye Name: (2R,3R,5R,6R)-3,5-dimethyl-2,6-bis(o-tolyl)piperidin-1-ium-4-one CAS Name: (2R,3R,5R,6R)-3,5-dimethyl-2,6-bis(2-methylphenyl)-4-piperidin-1-iumone IUPAC Name: (2R,3R,5R,6R)-3,5-dimethyl-2,6-bis(2-methylphenyl)piperidin-1-ium-4-one Traditional Name: (2R,3R,5R,6R)-3,5-dimethyl-2,6-bis(o-tolyl)piperidin-1-ium-4-one Formula: C21H26NO+ MolecularWeight: 308.43724

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(C(C1=O)C)C2=CC=CC=C2C)C3=CC=CC=C3C

Isomeric SMILES

C[C@@H]1[C@@H]([NH2+][C@H]([C@H](C1=O)C)C2=CC=CC=C2C)C3=CC=CC=C3C

InChI

InChI=1S/C21H25NO/c1-13-9-5-7-11-17(13)19-15(3)21(23)16(4)20(22-19)18-12-8-6-10-14(18)2/h5-12,15-16,19-20,22H,1-4H3/p+1/t15-,16-,19-,20-/m1/s1